6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione

C8H8N4S — CID 106515886

IUPAC6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCn1cc(-c2cc(=S)nc[nH]2)cn1
InChIInChI=1S/C8H8N4S/c1-12-4-6(3-11-12)7-2-8(13)10-5-9-7/h2-5H,1H3,(H,9,10,13)
InChIKeyIRJUTDRPXCZYDC-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.54
Rot. Bonds1

About 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione

6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (PubChem CID 106515886) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
PubChem CID106515886
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
SMILESCn1cc(-c2cc(=S)nc[nH]2)cn1
InChIInChI=1S/C8H8N4S/c1-12-4-6(3-11-12)7-2-8(13)10-5-9-7/h2-5H,1H3,(H,9,10,13)
InChIKeyIRJUTDRPXCZYDC-UHFFFAOYSA-N
XLogP1.54
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106515845
5-fluoro-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-2-thione
CID 106515856
6-(1-ethylpyrazol-4-yl)-5-fluoro-1H-pyrimidine-2-thione
CID 106515924
6-(1-propylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106515979
5-fluoro-6-(1-propylpyrazol-4-yl)-1H-pyrimidine-2-thione
CID 106515990
6-(1-methylpyrazol-4-yl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106716261
2-[2-(2,2-difluoroethoxy)ethyl]-6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione
CID 106716292
6-(1-methylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106716390
6-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776744
6-(1-propylpyrazol-4-yl)-2-(trifluoromethyl)-1H-pyrimidine-4-thione
CID 106776751
6-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 113844140
6-(1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 113868904

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione (CID 106515886) is 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is Cn1cc(-c2cc(=S)nc[nH]2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
The InChIKey is IRJUTDRPXCZYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-12-4-6(3-11-12)7-2-8(13)10-5-9-7/h2-5H,1H3,(H,9,10,13).
What are the key properties of 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione?
6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione has a molecular weight of 192.25 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).